General Information of the Compound
| Compound ID |
CP0951471
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| Compound Name |
(E)-2-hydroxy-1-(6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)guanidine
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| Formula |
C26H22N6O3
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| Molecular Weight |
466.501
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| Canonical SMILES |
COc1ccc(-c2c(N/C(N)=N/O)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C26H22N6O3/c1-35-19-14-12-17(13-15-19)21-23(29-26(27)31-34)28-24-20(16-8-4-2-5-9-16)22(30-32(24)25(21)33)18-10-6-3-7-11-18/h2-15,28,34H,1H3,(H3,27,29,31)
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| InChIKey |
XAURWGWGBWCEOP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound